4-chloro-3-fluoropyridine-2-carboxylic acid

4-chloro-3-fluoropyridine-2-carboxylic acid

CAS: 860296-21-5

Formula: C6H3ClFNO2

SMILES: OC(=O)C1=NC=CC(Cl)=C1F

IUPAC: 4-chloro-3-fluoropyridine-2-carboxylic acid

InChI: InChI=1S/C6H3ClFNO2/c7-3-1-2-9-5(4(3)8)6(10)11/h1-2H,(H,10,11)

Composition: C (41.05%), H (1.72%), Cl (20.19%), F (10.82%), N (7.98%), O (18.23%)

Molar Mass: 175.54

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	174.9836342
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LNKODIBGKHYUKU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.81
Topological Polar Surface Area	50.19
Polarizability	13.63
Ring Count	1
Rotatable Bond Count	1

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